Because experimental toxicology information exists for only a fraction of known chemical substances, the USAPHC uses quantitative structure-activity relationship (QSAR) and physiologically-based pharmacokinetic (PBPK) modeling to predict the physical-chemical and toxicological characteristics of many compounds. Although modeling cannot be substituted for in vivo experimentation, it is faster and less costly. If in vivo studies are required, the models can provide a starting point for dose estimation, which conserves financial and animal resources.
For more information about the use of computer modeling at the USAPHC, please contact us.